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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Melanocortin receptor 3' and Ligand = 'BDBM50179136'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179136
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES CN1CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)C1=O
Show InChI InChI=1S/C35H46ClN5O3/c1-39-19-20-41(34(39)44)24-35(28-9-3-2-4-10-28)15-17-40(18-16-35)33(43)31(21-25-11-13-29(36)14-12-25)38-32(42)30-22-26-7-5-6-8-27(26)23-37-30/h5-8,11-14,28,30-31,37H,2-4,9-10,15-24H2,1H3,(H,38,42)/t30-,31-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 660n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]NDP-alpha-MSH from human MC3R expressed in CHO cells


Bioorg Med Chem Lett 16: 1130-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.095
BindingDB Entry DOI: 10.7270/Q2NG4Q5S
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM50179136
PNG
((R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((...)
Show SMILES CN1CCN(CC2(CCN(CC2)C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)C2CCCCC2)C1=O
Show InChI InChI=1S/C35H46ClN5O3/c1-39-19-20-41(34(39)44)24-35(28-9-3-2-4-10-28)15-17-40(18-16-35)33(43)31(21-25-11-13-29(36)14-12-25)38-32(42)30-22-26-7-5-6-8-27(26)23-37-30/h5-8,11-14,28,30-31,37H,2-4,9-10,15-24H2,1H3,(H,38,42)/t30-,31-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity against human MC3R by cAMP accumulation


Bioorg Med Chem Lett 16: 1130-3 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.095
BindingDB Entry DOI: 10.7270/Q2NG4Q5S
More data for this
Ligand-Target Pair